(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

C13H13N3OS — CID 136843635

IUPAC(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CC[C@@H]1S/C(=N\N=C/c2ccccc2)NC1=O
InChIInChI=1S/C13H13N3OS/c1-2-6-11-12(17)15-13(18-11)16-14-9-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2,(H,15,16,17)/b14-9-/t11-/m0/s1
InChIKeyCSVINWQTTSZRHB-HOXUKUGESA-N
MW259.33 g/mol
LogP2.18
Rot. Bonds4

About (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 136843635) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID136843635
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CC[C@@H]1S/C(=N\N=C/c2ccccc2)NC1=O
InChIInChI=1S/C13H13N3OS/c1-2-6-11-12(17)15-13(18-11)16-14-9-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2,(H,15,16,17)/b14-9-/t11-/m0/s1
InChIKeyCSVINWQTTSZRHB-HOXUKUGESA-N
XLogP2.18
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135779975
(2Z,5R)-2-[(E)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135764028
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135856668
(5R)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 137195541
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135548148
(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135856667
(2E,5R)-2-[(3-nitrophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135688637
(2E)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135581303
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135527920
2-[(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136831646
2-[(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135830969
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (CID 136843635) is (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is C=CC[C@@H]1S/C(=N\N=C/c2ccccc2)NC1=O.
What is the InChIKey of (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is CSVINWQTTSZRHB-HOXUKUGESA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-6-11-12(17)15-13(18-11)16-14-9-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2,(H,15,16,17)/b14-9-/t11-/m0/s1.
What are the key properties of (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 259.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 136843635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).